CID 10320815

Broussonol b

Structural Information

Molecular Formula
C25H24O7
SMILES
CC1C(C2=C(O1)C=C(C3=C2OC(=C(C3=O)O)C4=CC5=C(C(=C4)O)OC(C=C5)(C)C)O)(C)C
InChI
InChI=1S/C25H24O7/c1-11-25(4,5)18-16(30-11)10-14(26)17-19(28)20(29)22(31-23(17)18)13-8-12-6-7-24(2,3)32-21(12)15(27)9-13/h6-11,26-27,29H,1-5H3
InChIKey
WYEJSRSJEMZHNA-UHFFFAOYSA-N
Compound name
3,5-dihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-8,9,9-trimethyl-8H-furo[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

436.1522 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.15948 203.3
[M+Na]+ 459.14142 216.2
[M-H]- 435.14492 213.0
[M+NH4]+ 454.18602 216.7
[M+K]+ 475.11536 214.8
[M+H-H2O]+ 419.14946 196.6
[M+HCOO]- 481.15040 214.0
[M+CH3COO]- 495.16605 214.0
[M+Na-2H]- 457.12687 206.3
[M]+ 436.15165 211.3
[M]- 436.15275 211.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.